MolNFT v1 · #105511 · protein
Structure of the periplasmic binding protein afua from actinobacillus pleuropneumoniae (apo form)
4R72 · ABC-type FE3+ transport system, periplasmic component: “Structure of the periplasmic binding protein afua from actinobacillus pleuropneumoniae (apo form)”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.56). MolNFT…
- PDB
- 4R72
- Type
- protein
- Length
- 318 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC-type FE3+ transport system, periplasmic component
- UniProt
- A3N294
- Ligands
- CL
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC-type FE3+ transport system, periplasmic component | protein | 318 | 45% helix, 21% strand | A3N294 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 315 | 0.56 | 0.76 | 40 | empty |
| 2 | 77 | 0.42 | 0.80 | 21 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4R72 · Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A3N294
- Elsewhere: RCSB PDB 4R72 · PDBe 4R72 · UniProt A3N294
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